Cas no 676528-58-8 ([1,1'-BIPHENYL]-4-CARBOXYLIC ACID, 4'-(4-PYRIDINYLMETHYL)-, METHYL ESTER)

[1,1'-BIPHENYL]-4-CARBOXYLIC ACID, 4'-(4-PYRIDINYLMETHYL)-, METHYL ESTER structure
676528-58-8 structure
Product Name:[1,1'-BIPHENYL]-4-CARBOXYLIC ACID, 4'-(4-PYRIDINYLMETHYL)-, METHYL ESTER
CAS No:676528-58-8
MF:C20H17NO2
MW:303.354485273361
CID:3172035
PubChem ID:85957770
Update Time:2025-04-21

[1,1'-BIPHENYL]-4-CARBOXYLIC ACID, 4'-(4-PYRIDINYLMETHYL)-, METHYL ESTER Chemical and Physical Properties

Names and Identifiers

    • [1,1'-BIPHENYL]-4-CARBOXYLIC ACID, 4'-(4-PYRIDINYLMETHYL)-, METHYL ESTER
    • Methyl 4'-(4-pyridinylmethyl)[1,1'-biphenyl]-4-carboxylate
    • DB-402442
    • 676528-58-8
    • Inchi: 1S/C20H17NO2/c1-23-20(22)19-8-6-18(7-9-19)17-4-2-15(3-5-17)14-16-10-12-21-13-11-16/h2-13H,14H2,1H3
    • InChI Key: VSLUYMYFOQOPNL-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=CC(=CC=1)C1C=CC(=CC=1)CC1C=CN=CC=1)=O

Computed Properties

  • Exact Mass: 303.125928785Da
  • Monoisotopic Mass: 303.125928785Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 5
  • Complexity: 362
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.3
  • Topological Polar Surface Area: 39.2?2
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